rename package to just pbqff

Cargo.toml

@@ -1,5 +1,5 @@
 [package]
-name = "rust-pbqff"
+name = "pbqff"
 version = "0.1.0"
 edition = "2021"
 

Makefile

@@ -23,27 +23,27 @@ doc:
 
 TARGET =
 ifeq (${DEBUG}, 1)
-	TARGET += target/x86_64-unknown-linux-gnu/debug/rust-pbqff
+	TARGET += target/x86_64-unknown-linux-gnu/debug/pbqff
 else
-	TARGET += target/x86_64-unknown-linux-gnu/release/rust-pbqff
+	TARGET += target/x86_64-unknown-linux-gnu/release/pbqff
 endif
 
 build:
 ifeq (${DEBUG}, 1)
     # see https://msfjarvis.dev/posts/building-static-rust-binaries-for-linux
 	RUSTFLAGS='-C target-feature=+crt-static' \
-	cargo build --features vers --bin rust-pbqff --target x86_64-unknown-linux-gnu
+	cargo build --features vers --target x86_64-unknown-linux-gnu
 else
     # see https://msfjarvis.dev/posts/building-static-rust-binaries-for-linux
 	RUSTFLAGS='-C target-feature=+crt-static' \
-	cargo build --features vers --bin rust-pbqff --release --target x86_64-unknown-linux-gnu
+	cargo build --features vers --release --target x86_64-unknown-linux-gnu
 endif
 
 MANDIR := /usr/local/share/man/man1
 
-install: man/rpbqff.1 target/release/rust-pbqff qffbuddy/qffbuddy.py
-	cargo build --features vers --bin rust-pbqff --release
-	sudo ln -sf $(realpath target/release/rust-pbqff) /usr/bin/pbqff
+install: man/rpbqff.1 target/release/pbqff qffbuddy/qffbuddy.py
+	cargo build --features vers --release
+	sudo ln -sf $(realpath target/release/pbqff) /usr/bin/pbqff
 	sudo ln -sf $(realpath qffbuddy/qffbuddy.py) /usr/bin/qffbuddy
 	sudo cp $< $(MANDIR)/pbqff.1
 

README.md

@@ -17,8 +17,8 @@ make install
 As you can see in the Makefile, this simply runs
 
 ```bash
-cargo build --features vers --bin rust-pbqff --release
-sudo ln -sf $(realpath target/release/rust-pbqff) /usr/bin/pbqff
+cargo build --features vers --release
+sudo ln -sf $(realpath target/release/pbqff) /usr/bin/pbqff
 sudo ln -sf $(realpath qffbuddy/qffbuddy.py) /usr/bin/qffbuddy
 sudo cp $< $(MANDIR)/pbqff.1
 ```

qffbuddy/local

@@ -1,6 +1,6 @@
 #!/bin/bash
 
 script=/home/brent/Projects/rust-pbqff/qffbuddy/qffbuddy.py
-bin=/home/brent/Projects/rust-pbqff/target/x86_64-unknown-linux-gnu/release/rust-pbqff
+bin=/home/brent/Projects/rust-pbqff/target/x86_64-unknown-linux-gnu/release/pbqff
 
 python $script --pbqff $bin "$@"

src/bin/build_points.rs

@@ -1,16 +1,16 @@
-use psqs::{
-    geom::Geom,
-    program::{mopac::Mopac, Template},
-    queue::local::Local,
-};
-use rust_pbqff::{
+use pbqff::{
     config::Config,
     coord_type::{
         findiff::{bighash::BigHash, FiniteDifference},
         Cart, Derivative,
     },
     optimize,
 };
+use psqs::{
+    geom::Geom,
+    program::{mopac::Mopac, Template},
+    queue::local::Local,
+};
 use symm::Molecule;
 
 fn main() {

src/bin/cart.rs

@@ -1,10 +1,10 @@
 use std::{env::temp_dir, io::Stdout, time::Instant};
 
-use psqs::{program::mopac::Mopac, queue::local::Local};
-use rust_pbqff::{
+use pbqff::{
     config::Config,
     coord_type::{Cart, CoordType},
 };
+use psqs::{program::mopac::Mopac, queue::local::Local};
 
 fn main() -> Result<(), std::io::Error> {
     let config = Config {

src/main.rs

@@ -1,15 +1,15 @@
 use std::{fs::File, os::unix::prelude::AsRawFd, path::Path};
 
-use psqs::{
-    program::{cfour::Cfour, dftbplus::DFTBPlus, molpro::Molpro, mopac::Mopac},
-    queue::{local::Local, pbs::Pbs, slurm::Slurm},
-};
-use rust_pbqff::{
+use pbqff::{
     cleanup,
     config::{self, Config},
     coord_type::{normal::Normal, Cart, CoordType, Load, Sic},
     Intder,
 };
+use psqs::{
+    program::{cfour::Cfour, dftbplus::DFTBPlus, molpro::Molpro, mopac::Mopac},
+    queue::{local::Local, pbs::Pbs, slurm::Slurm},
+};
 
 include!(concat!(env!("OUT_DIR"), "/version.rs"));
 include!(concat!(env!("OUT_DIR"), "/dispatch.rs"));