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• c30c3a532c add Fortran interface for sparse data q-posev 2021-12-01 13:35:42 +01:00
• 83c926fd6b replace offset_data arg with pointer arithmetics q-posev 2021-12-01 09:56:31 +01:00
• 99a234853b add dependencies on generator Python scripts q-posev 2021-12-01 09:54:09 +01:00
• db4b66d81d [WIP] add C test for sparse I/O in text back end q-posev 2021-11-30 16:33:30 +01:00
• d3ba8f3652 [WIP] working generator for sparse functions q-posev 2021-11-30 16:30:36 +01:00
• c1e1176400 [WIP] text back end q-posev 2021-11-24 17:44:54 +01:00
• 25e6a12497 Deploying to gh-pages from @ TREX-CoE/trexio@d44883f0ea 🚀 q-posev 2021-11-19 11:51:20 +00:00
• d44883f0ea add search bar q-posev 2021-11-19 12:50:12 +01:00
• 90a5290d9b Deploying to gh-pages from @ TREX-CoE/trexio@697ccd5e40 🚀 q-posev 2021-11-18 15:47:15 +00:00
• 697ccd5e40 add instructions for CMake users to README q-posev 2021-11-18 15:39:04 +01:00
• eaf61a68f0 Deploying to gh-pages from @ TREX-CoE/trexio@f9a023848d 🚀 q-posev 2021-11-18 13:35:31 +00:00
• f9a023848d use EXTRA_DIST instead of dist_DATA for CMake files q-posev 2021-11-18 14:34:19 +01:00
• 527417cd8f fix type conversion for 32-bit indices q-posev 2021-11-18 14:33:18 +01:00
• e676e364cf Deploying to gh-pages from @ TREX-CoE/trexio@9dbdbe9581 🚀 q-posev 2021-11-18 13:13:25 +00:00
• 9dbdbe9581
  Merge pull request #69 from TREX-CoE/cmake-and-guix Evgeny Posenitskiy 2021-11-18 14:12:31 +01:00
• ac2e070956 rename html target to html-local folowing autoconf warning q-posev 2021-11-18 13:59:34 +01:00
• f89481fe60 Merge branch 'master' into cmake-and-guix q-posev 2021-11-18 13:59:05 +01:00
• 69ba83532d Deploying to gh-pages from @ TREX-CoE/trexio@c5c4b7e473 🚀 scemama 2021-11-17 13:23:58 +00:00
• c5c4b7e473 Remove 2nd occurence of LT_INIT Anthony Scemama 2021-11-17 14:22:48 +01:00
• b52caba958 Deploying to gh-pages from @ TREX-CoE/trexio@cc7e7b33dc 🚀 scemama 2021-11-17 13:18:13 +00:00
• cc7e7b33dc Merge branch 'master' of github.com:TREX-CoE/trexio Anthony Scemama 2021-11-17 14:17:01 +01:00
• 4e20a5fde3 Modernize configure.ac Anthony Scemama 2021-11-17 14:16:55 +01:00
• 72c355c7cc Top-level CMakeLists with subdirectories q-posev 2021-11-17 14:00:35 +01:00
• ae753108ff move FindTREXIO and cmake_uninstall modules in cmake directory q-posev 2021-11-17 11:02:35 +01:00
• 3dbe2f66dd add missing dependency on private headers q-posev 2021-11-17 10:57:03 +01:00
• a1e6fcbfc5 add detection of emacs and min required version of Python3 q-posev 2021-11-17 10:07:19 +01:00
• 21131ed352 include CMake-specific files into Autotools distribution q-posev 2021-11-16 18:11:42 +01:00
• 6feef1cd5f add custom uninstall target to CMake q-posev 2021-11-16 18:10:36 +01:00
• 5f4994fc31 add developer mode (with code auto-generation) to CMake q-posev 2021-11-16 17:52:05 +01:00
• f389ba2952 [WIP] better FindTREXIO module (following FindSDL2 example) q-posev 2021-11-16 11:37:11 +01:00
• 6f499ea58d add Fortran support (module and test) q-posev 2021-11-15 12:58:30 +01:00
• 0659dc1ca0 added BUILD_<SHARED|STATIC>_LIBS options and comments q-posev 2021-11-15 11:16:28 +01:00
• 11142e0723 working CTest and optional HDF5 configuration q-posev 2021-11-15 10:29:50 +01:00
• f997265be3 [WIP] add working test q-posev 2021-11-13 19:49:02 +01:00
• 5b93f55c65 [WIP] first working CMakeLists.txt q-posev 2021-11-13 19:01:21 +01:00
• 297552418b add AC_CONFIG_AUX_DIR q-posev 2021-11-13 18:04:52 +01:00
• 7fa07bf7e7 [WIP] working Guix project config file q-posev 2021-11-12 17:00:04 +01:00
• 320697ee8d [WIP] FindTREXIO.cmake file q-posev 2021-11-09 16:52:43 +01:00
• 8856510d70 Deploying to gh-pages from @ TREX-CoE/trexio@f03812d2b4 🚀 q-posev 2021-11-08 19:47:41 +00:00
• f03812d2b4 fix warning about conflicting .PHONY q-posev 2021-11-08 20:46:24 +01:00
• f0df59e003 Merge branch 'master' of github.com:TREX-CoE/trexio q-posev 2021-11-08 20:11:32 +01:00
• 57dd40f74e Deploying to gh-pages from @ TREX-CoE/trexio@568991af37 🚀 scemama 2021-11-08 19:09:52 +00:00
• 568991af37 Force regeneration of hash Anthony Scemama 2021-11-08 20:08:42 +01:00
• 1b46caf6a7 Deploying to gh-pages from @ TREX-CoE/trexio@42bf7ce94c 🚀 scemama 2021-11-08 18:42:30 +00:00
• 42bf7ce94c Store Git hash Anthony Scemama 2021-11-08 19:41:17 +01:00
• ed4b2a99cb add html and doc rules q-posev 2021-11-04 12:02:14 +01:00
• e25d512ddb Deploying to gh-pages from @ TREX-CoE/trexio@b40c960cef 🚀 q-posev 2021-11-03 09:29:19 +00:00
• b40c960cef Fix make distcheck and parallel bmake q-posev 2021-11-03 10:25:09 +01:00
• c322f6c521 Deploying to gh-pages from @ TREX-CoE/trexio@e216c7d345 🚀 q-posev 2021-11-02 20:53:47 +00:00
• e216c7d345 Fix bug with circular dependency in HTML_FILES; enabled serial bmake q-posev 2021-11-02 21:52:32 +01:00
• 0e38e3a490 Deploying to gh-pages from @ TREX-CoE/trexio@7128675339 🚀 scemama 2021-11-02 15:29:14 +00:00
• 7128675339 Merge branch 'master' into configure Anthony Scemama 2021-11-02 16:27:50 +01:00
• 92da30a46f Removed cyclic dependency. Compiles with bmake Anthony Scemama 2021-11-02 16:26:33 +01:00
• 1be9bd3220 Deploying to gh-pages from @ TREX-CoE/trexio@20f06d63ec 🚀 scemama 2021-11-02 10:53:25 +00:00
• 20f06d63ec
  Merge pull request #67 from TREX-CoE/optional-hdf5 Anthony Scemama 2021-11-02 11:52:26 +01:00
• e18dcd5c4a conditional HDF5 tests based on the trexio_has_backend function q-posev 2021-11-02 11:06:03 +01:00
• 954ee4216c add trexio_has_backend function to the C and Fortran APIs q-posev 2021-11-02 11:05:27 +01:00
• cce0f49785 use HAVE_HDF5 instead of DO_HDF5 for conditional compilation q-posev 2021-11-02 10:32:51 +01:00
• 7f3ee3cc18 reset back end values and add TREXIO_BACK_END_MISSING error q-posev 2021-11-02 10:32:00 +01:00
• 6cf6121f50 fix pytrexio test q-posev 2021-11-02 10:30:35 +01:00
• 5504bc0fe6 wrap TREXIO_INVALID_BACK_END definition in preprocessor macro q-posev 2021-11-01 13:22:46 +01:00
• e03a99207e update README q-posev 2021-11-01 12:15:19 +01:00
• 7d00b87ad8 Merge branch 'master' into optional-hdf5 q-posev 2021-11-01 11:58:50 +01:00
• 4b225f142e explicitly define HAVE_HDF5 in trexio.h for Python builds q-posev 2021-11-01 11:58:04 +01:00
• c24484b86a adapt tests to optional HDF5 q-posev 2021-11-01 11:57:03 +01:00
• d42dc7f449 optional HDF5 compilation q-posev 2021-11-01 11:55:34 +01:00
• 56e8d15cbd Deploying to gh-pages from @ TREX-CoE/trexio@37315d54f0 🚀 q-posev 2021-11-01 10:44:06 +00:00
• 37315d54f0
  Merge pull request #66 from TREX-CoE/configure Evgeny Posenitskiy 2021-11-01 11:43:09 +01:00
• c8414c42b9 Fixed README Anthony Scemama 2021-11-01 10:23:47 +01:00
• 12a2827739 remove --enable-maintainer-mode from GH actions Anthony Scemama 2021-11-01 10:20:03 +01:00
• 3154e01021 Merge branch 'configure' of github.com:TREX-CoE/trexio into configure Anthony Scemama 2021-11-01 10:16:14 +01:00
• f0dd4563bc Automatic developer mode Anthony Scemama 2021-11-01 10:16:02 +01:00
• 0a6c1dc65f Removed TREXIO_DEVEL in configure Anthony Scemama 2021-11-01 10:01:35 +01:00
• 21272260de Deploying to gh-pages from @ TREX-CoE/trexio@33078eeee4 🚀 q-posev 2021-10-26 08:36:28 +00:00
• 33078eeee4 Revert "fix error in the ECP example" q-posev 2021-10-26 10:34:59 +02:00
• f6f56fe73c Deploying to gh-pages from @ TREX-CoE/trexio@9e53671252 🚀 q-posev 2021-10-25 15:00:57 +00:00
• 9e53671252 fix error in the ECP example q-posev 2021-10-25 16:59:50 +02:00
• a00b475bc2 Deploying to gh-pages from @ TREX-CoE/trexio@60380da0df 🚀 q-posev 2021-10-25 11:40:35 +00:00
• 60380da0df update the tangled block and example v2.0 q-posev 2021-10-25 13:28:18 +02:00
• b40bf08e95 Deploying to gh-pages from @ TREX-CoE/trexio@ca81d94be6 🚀 q-posev 2021-10-25 10:18:20 +00:00
• ca81d94be6 fix typos in the ECP q-posev 2021-10-25 12:17:15 +02:00
• d62def9c07 Deploying to gh-pages from @ TREX-CoE/trexio@b535ffc8b2 🚀 q-posev 2021-10-25 09:41:17 +00:00
• b535ffc8b2 adapt README and ChangeLog q-posev 2021-10-25 11:40:07 +02:00
• bdb093e7e9 Deploying to gh-pages from @ TREX-CoE/trexio@94d00fc697 🚀 scemama 2021-10-21 17:41:53 +00:00
• 226a56a0ad Deploying to gh-pages from @ TREX-CoE/trexio@0967c5f4b8 🚀 scemama 2021-10-21 17:40:52 +00:00
• 94d00fc697
  Merge pull request #64 from TREX-CoE/fix-ecp-structure Anthony Scemama 2021-10-21 19:40:50 +02:00
• 0967c5f4b8
  Merge pull request #65 from TREX-CoE/fix-basis-structure Anthony Scemama 2021-10-21 19:39:47 +02:00
• 7459589701 adapt the tests to use basis_shell_num q-posev 2021-10-21 15:52:12 +02:00
• 9321213a21 split the basis format to depend on shell_num and prim_num q-posev 2021-10-21 15:51:21 +02:00
• 8fa8fc0c99 change ecp_z_core type from float to int q-posev 2021-10-19 17:07:15 +02:00
• 68cf38e822 better documentation of th ECP block q-posev 2021-10-19 15:47:13 +02:00
• 250b29a7bd fix typo in the example q-posev 2021-10-19 13:31:48 +02:00
• e9ca73efc0 change array name of lmax to lmax+1 for better dimensioning q-posev 2021-10-19 12:01:17 +02:00
• 64b3e25da5 fix Python tests for basis_nucleus_index q-posev 2021-10-19 10:43:00 +02:00
• 2d07db222f upgrade major versions due to changes in the ECP format q-posev 2021-10-19 10:26:35 +02:00
• 5756b5df33 upgrade major versions due to changes in basis and ECP formats q-posev 2021-10-19 10:24:44 +02:00
• db35b102ed fix tests broken due to new dimension of basis_nucleus_index q-posev 2021-10-19 10:22:08 +02:00
• 2e04d5e610 update tangled part of basis for trex.json q-posev 2021-10-19 10:09:20 +02:00
• 31485e6f90 nucleus_index instead of nucleus attribute in ECP q-posev 2021-10-18 17:43:53 +02:00
• 9b12332211 FIX: data format in the basis group consistent with ECP q-posev 2021-10-18 17:40:53 +02:00