5834244b30
Merged pseudopotential integrals
2022-02-23 16:11:06 +01:00
6ab5c67ebe
[pre-release] upgrade versions and produce wheels for CPython 3.10
2021-12-27 16:26:17 +01:00
f89481fe60
Merge branch 'master' into cmake-and-guix
2021-11-18 13:59:05 +01:00
c5c4b7e473
Remove 2nd occurence of LT_INIT
2021-11-17 14:22:48 +01:00
4e20a5fde3
Modernize configure.ac
2021-11-17 14:16:55 +01:00
297552418b
add AC_CONFIG_AUX_DIR
2021-11-13 18:04:52 +01:00
42bf7ce94c
Store Git hash
2021-11-08 19:41:17 +01:00
cce0f49785
use HAVE_HDF5 instead of DO_HDF5 for conditional compilation
2021-11-02 10:32:51 +01:00
7d00b87ad8
Merge branch 'master' into optional-hdf5
2021-11-01 11:58:50 +01:00
d42dc7f449
optional HDF5 compilation
...
via configure script and pre-processor macros
2021-11-01 11:55:34 +01:00
3154e01021
Merge branch 'configure' of github.com:TREX-CoE/trexio into configure
2021-11-01 10:16:14 +01:00
f0dd4563bc
Automatic developer mode
2021-11-01 10:16:02 +01:00
0a6c1dc65f
Removed TREXIO_DEVEL in configure
2021-11-01 10:02:25 +01:00
5756b5df33
upgrade major versions due to changes in basis and ECP formats
...
needed to indicate that the backward copatibility will be broken
2021-10-19 10:24:44 +02:00
2bdcf87a55
Fix #62 : raise autoconf error when not in developer mode
...
but trying to configure the GitHub repo clone.
This is required because TREXIO source files can either be generated in developer mode (using emacs org-mode files) or obtained from the source code distribution.
2021-10-12 15:55:58 +02:00
a8bdb9b00e
update current version to 1.1
2021-10-08 13:03:35 +02:00
947a8a12f8
Fix bug due to PACKAGE_VERSION definition in trexio.h
2021-10-07 09:54:19 +02:00
35cb07d11b
upgrade TREXIO major version before release
2021-09-30 17:26:58 +02:00
ed47bad056
roll back names in PKG_CHECK_MODULES
2021-08-21 11:58:42 +03:00
9f674b1add
fix bug due to HDF5 name duplication in PKG_CHECK_MODULES
2021-08-20 16:30:05 +03:00
aee68dd619
add Autoconf macro for SWIG
2021-08-20 15:20:09 +03:00
56df1c8549
propagate local user name from $USER to config.h
2021-07-23 15:48:45 +02:00
3a4e737630
specify minimal required version of Libtool in configure.ac
2021-06-23 17:05:14 +02:00
6b18a64a8e
more general HDF5 detection
...
do not restrict to serial builds but enable also parallel ones (common on HPCs)
2021-06-22 11:37:54 +02:00
ec0db01f0c
Documentation in dist
2021-06-18 12:04:03 +02:00
f788c859fb
fix current version number
2021-06-15 18:31:43 +02:00
ac45a937af
Merge branch 'master' into add-strings
2021-06-15 11:49:42 +02:00
e8732c3611
print HDF5 version in the configure output
2021-06-09 13:57:11 +02:00
77f2858548
Add index in files
2021-06-04 14:43:27 +02:00
a5ae1d239b
Improve HDF5 in configure
2021-06-03 01:25:20 +02:00
6d1e9df1a3
Fixing HDF5 in configure
2021-06-02 12:09:26 +02:00
ed66a8c0cf
Fixed Fortran test
2021-06-02 11:54:07 +02:00
8b580fee4a
Automake done. Need to improve tests
2021-05-28 13:36:39 +02:00
893dda8581
Working on configure
2021-05-28 12:34:58 +02:00
732780430d
Working on automake
2021-05-28 12:23:19 +02:00
b172b506ff
Moved config.h in include
2021-05-28 12:19:15 +02:00
e46d314a5f
Check for C99
2021-05-28 12:16:32 +02:00
1c0b17f809
Removed obsolete AC_PROG_CC_C99
2021-05-28 11:43:34 +02:00
692f45ed7f
Correct rank in Fortran interface
2021-05-08 00:35:53 +02:00
20d551a70b
include inttypes to fix portability issues in text back end
2021-05-06 18:08:28 +02:00
51a1e2bca3
Adjustments in trex.json
2021-05-06 13:39:04 +02:00
8ff9b1d717
Fix trexio.pc.in (missing -ltrexio and -lhdf5_hl)
2021-05-05 18:04:18 +02:00
4cbc9c29f0
Fixed pkgconfig
2021-05-05 13:55:00 +02:00
f272d27863
pkgconfig
2021-05-05 12:17:15 +02:00
f7dea1fd1c
Fixed configure and install
2021-05-05 11:37:48 +02:00
3e8e6c74ed
updated FCFLAGS when HDF5 is found with pkg-config
2021-05-03 15:05:54 +02:00
51660199c2
create tests directory
2021-04-30 15:50:41 +02:00
a1d6d32aae
added temp solution for missing install-sh script
2021-04-28 15:57:31 +02:00
Evgeny Posenitskiy
818d66d4d3
Autoconfig with optional HDF5 compilation ( #42 )
...
Makefile.in:
* recursive build;
* advanced make targets;
* major support for autoconf and minor for package managers.
configure.ac:
* optional HDF5 compilation [default: --with-hdf5];
* add -fPIC to CFLAGS if missing.
2021-04-28 15:30:18 +02:00
