mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-06 16:15:57 +02:00
Compare commits
No commits in common. "ff3e5b2ac1762e40ba9fbd4db9f3286a928df733" and "edd2276b75fb24a54e36ff86bce8f72a0ba98597" have entirely different histories.
ff3e5b2ac1
...
edd2276b75
21
GITHUB.md
21
GITHUB.md
@ -2,23 +2,20 @@ GitHub Branches
|
||||
===============
|
||||
|
||||
master:
|
||||
The current up-to-date working branch, that users download. It should
|
||||
only contain the latest stable release and bug fixes.
|
||||
The current up-to-date working branch, that users download It should
|
||||
only contain the latest release and bug fixes.
|
||||
|
||||
dev:
|
||||
develop-lcpq:
|
||||
Toulouse development branch
|
||||
|
||||
develop-lct:
|
||||
Paris development branch
|
||||
|
||||
develop:
|
||||
It is a fork of the *master* branch with new developments that will be
|
||||
merged in the *master* branch for the next release. Other development
|
||||
branches should be merged on this one.
|
||||
|
||||
bugfix:
|
||||
A fork of the *master* on which the bug fixes are made.
|
||||
|
||||
dev-lcpq:
|
||||
Toulouse development branch
|
||||
|
||||
dev-lct:
|
||||
Paris development branch
|
||||
|
||||
gh-pages:
|
||||
This is an independent branch, containing only the web site of QP2.
|
||||
|
||||
|
11
INSTALL.rst
11
INSTALL.rst
@ -328,7 +328,7 @@ OCaml
|
||||
echo ${QP_ROOT}/bin
|
||||
${QP_ROOT}/external/opam_installer.sh --no-backup --fresh
|
||||
|
||||
The :command:`opam` command can be installed in the :file:`${QP_ROOT}/bin`
|
||||
You the :command:`opam` command can be installed in the :file:`${QP_ROOT}/bin`
|
||||
directory. To do this, take the output of ``echo ${QP_ROOT}/bin`` and
|
||||
use it as an answer to where :command:`opam` should be installed.
|
||||
|
||||
@ -337,14 +337,7 @@ OCaml
|
||||
|
||||
.. code:: bash
|
||||
|
||||
opam init --comp=4.07.1
|
||||
eval `${QP_ROOT}/bin/opam env`
|
||||
|
||||
If the installation fails because of bwrap, you can initialize opam using:
|
||||
|
||||
.. code:: bash
|
||||
|
||||
opam init --disable-sandboxing --comp=4.07.1
|
||||
opam init --disable-sandboxing --comp=4.07.0
|
||||
eval `${QP_ROOT}/bin/opam env`
|
||||
|
||||
* Install the required external OCaml libraries
|
||||
|
@ -5,7 +5,7 @@
|
||||
|
||||
[*Quantum package 2.0: an open-source determinant-driven suite of programs*](https://pubs.acs.org/doi/10.1021/acs.jctc.9b00176)\
|
||||
Y. Garniron, K. Gasperich, T. Applencourt, A. Benali, A. Ferté, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J. P. Malrieu, M. Véril, M. Caffarel, P. F. Loos, E. Giner and A. Scemama\
|
||||
[J. Chem. Theory Comput. 2019, 15, 6, 3591-3609](https://doi.org/10.1021/acs.jctc.9b00176)\
|
||||
J. Chem. Theory Comput., 15:6, 3591--3609, (2019)\
|
||||
https://arxiv.org/abs/1902.08154
|
||||
|
||||
```
|
||||
|
18
configure
vendored
18
configure
vendored
@ -297,37 +297,27 @@ EOF
|
||||
${QP_ROOT}/bin
|
||||
|
||||
|
||||
|
||||
EOF
|
||||
|
||||
rm ${QP_ROOT}/external/opam_installer.sh
|
||||
source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
|
||||
|
||||
opam switch create ocaml-base-compiler.4.07.1
|
||||
opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing
|
||||
${QP_ROOT}/bin/opam init --verbose --yes
|
||||
|
||||
eval $(opam env)
|
||||
eval $(${QP_ROOT}/bin/opam env)
|
||||
opam install -y ${OCAML_PACKAGES} || exit 1
|
||||
|
||||
else
|
||||
# Conventional commands
|
||||
execute << EOF
|
||||
chmod +x "\${QP_ROOT}"/external/opam_installer.sh
|
||||
"\${QP_ROOT}"/external/opam_installer.sh --no-backup
|
||||
EOF
|
||||
execute << EOF
|
||||
rm --force \${QP_ROOT}/bin/opam
|
||||
export OPAMROOT=\${OPAMROOT:-\${QP_ROOT}/external/opam}
|
||||
echo \${QP_ROOT}/bin \
|
||||
| sh \${QP_ROOT}/external/opam_installer.sh
|
||||
EOF
|
||||
rm \${QP_ROOT}/external/opam_installer.sh
|
||||
source \${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
|
||||
opam switch create ocaml-base-compiler.4.07.1 || exit 1
|
||||
opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing
|
||||
eval $(opam env)
|
||||
EOF
|
||||
execute << EOF
|
||||
\${QP_ROOT}/bin/opam init --verbose --yes
|
||||
eval \$(\${QP_ROOT}/bin/opam env)
|
||||
opam install -y \${OCAML_PACKAGES} || exit 1
|
||||
EOF
|
||||
fi
|
||||
|
Loading…
Reference in New Issue
Block a user